Geometry & MOs

Info

ID:	312611
PubChem CID:	126606797
Reduced:	N3O7C21H27 (1)
Stoich.:	A3B7C21D27 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	-185.68
Dipole, Da:	7.84
IP(EA), eV:	-9.38(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,10-diethyl-5-methyl-6H-cyclohepta[b]quinolin-11-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)[C@@H](CC=C)C(=O)/C=C/C1=C(C=C(C=C1)NC(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations